Compound Detail
CHEMBL335989
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL335989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPBDEYGIEOZDGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.15
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3162.28 | nM | 5.5 | Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00043-1 | D(3) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00043-1 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine